| SpectraBase Compound ID | LyWudVPgp8d |
|---|---|
| InChI | InChI=1S/C7H13IO/c1-7(9)5-3-2-4-6(7)8/h6,9H,2-5H2,1H3/t6-,7-/m0/s1 |
| InChIKey | WQRNRYBTRQKDCP-BQBZGAKWSA-N |
| Mol Weight | 240.08 g/mol |
| Molecular Formula | C7H13IO |
| Exact Mass | 240.00111 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C4mUzlKqyAa |
|---|---|
| Name | 2-Iodo-1-methylcyclohexanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.001110038 u |
| Formula | C7H13IO |
| InChI | InChI=1S/C7H13IO/c1-7(9)5-3-2-4-6(7)8/h6,9H,2-5H2,1H3/t6-,7-/m0/s1 |
| InChIKey | WQRNRYBTRQKDCP-BQBZGAKWSA-N |
| Molecular Weight | 240.084 g/mol |
| SMILES | [C@@]1([C@@](I)(CCCC1)[H])(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834032 |